2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid

C8H12N2O2S — CID 60982758

IUPAC2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid
SMILESCCc1ncc(CNCC(=O)O)s1
InChIInChI=1S/C8H12N2O2S/c1-2-7-10-4-6(13-7)3-9-5-8(11)12/h4,9H,2-3,5H2,1H3,(H,11,12)
InChIKeyAKXWUHGFIPAMBR-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.88
Rot. Bonds5

About 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid

2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid (PubChem CID 60982758) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid
PubChem CID60982758
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid
SMILESCCc1ncc(CNCC(=O)O)s1
InChIInChI=1S/C8H12N2O2S/c1-2-7-10-4-6(13-7)3-9-5-8(11)12/h4,9H,2-3,5H2,1H3,(H,11,12)
InChIKeyAKXWUHGFIPAMBR-UHFFFAOYSA-N
XLogP0.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid (CID 60982758) is 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid is CCc1ncc(CNCC(=O)O)s1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid?
The InChIKey is AKXWUHGFIPAMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-7-10-4-6(13-7)3-9-5-8(11)12/h4,9H,2-3,5H2,1H3,(H,11,12).
What are the key properties of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid?
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid has a molecular weight of 200.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetic acid is sourced from PubChem (CID 60982758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).